General Information of the Compound
| Compound ID |
CP0945374
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| Compound Name |
(5S,11S)-11-benzyl-5-phenethyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C36H42N4O4
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| Molecular Weight |
594.756
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1CCc1ccccc1
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| InChI |
InChI=1S/C36H42N4O4/c41-33-31(26-28-14-5-2-6-15-28)39-35(43)36(21-9-10-22-36)40-34(42)30(20-19-27-12-3-1-4-13-27)37-24-25-44-32-18-8-7-16-29(32)17-11-23-38-33/h1-8,11-18,30-31,37H,9-10,19-26H2,(H,38,41)(H,39,43)(H,40,42)/b17-11-/t30-,31-/m0/s1
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| InChIKey |
YCKPQOWDQNXNKV-ZVZAJSGGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound